#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wge s SER 2 N 0.00 6.65 0.37 1.61 0.15 -1.26 -4.97 113.70 116.26 1wge s SER 2 Ca 0.00 -2.02 0.04 0.00 0.70 0.00 0.00 55.95 54.66 1wge s SER 2 Cb 0.00 -2.44 -0.03 0.00 -1.71 0.00 0.00 66.02 61.84 1wge s SER 2 CO 0.00 -1.12 0.13 -0.44 1.20 0.00 0.00 173.24 173.00 1wge s SER 3 N 3.83 2.45 0.00 5.45 0.01 -1.26 -5.05 113.70 119.13 1wge s SER 3 Ca 0.37 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 56.02 1wge s SER 3 Cb -0.03 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1wge s SER 3 CO -0.08 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.30 1wge n GLY 4 N -0.80 -0.23 0.30 3.44 0.00 -1.26 -4.97 105.19 101.66 1wge n GLY 4 Ca -0.04 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1wge n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wge h SER 5 N 0.00 0.28 -2.99 1.61 0.87 -2.05 -3.38 113.55 107.90 1wge h SER 5 Ca 0.00 0.13 -0.57 0.00 -1.23 0.00 0.00 61.79 60.12 1wge h SER 5 Cb 0.00 0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.03 1wge h SER 5 CO 0.00 0.05 0.85 -0.94 -0.53 0.00 0.00 176.83 176.25 1wge s SER 6 N -5.27 7.01 -0.14 6.23 1.04 -1.26 -5.02 113.70 116.30 1wge s SER 6 Ca -0.12 1.60 -0.01 0.00 0.48 0.00 0.00 55.95 57.90 1wge s SER 6 Cb 0.23 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.79 1wge s SER 6 CO 0.77 -0.71 -0.10 -0.83 0.98 0.00 0.00 173.24 173.35 1wge s GLY 7 N 1.67 1.59 -0.36 7.32 0.00 -1.26 -5.09 107.32 111.19 1wge s GLY 7 Ca 0.51 -0.87 -0.24 0.00 0.00 0.00 0.00 44.72 44.13 1wge s GLY 7 CO 0.13 -0.17 0.81 1.06 0.00 0.00 0.00 173.10 174.92 1wge s MET 8 N 0.32 3.77 -0.73 2.90 1.00 -1.26 -5.00 119.30 120.30 1wge s MET 8 Ca -0.09 0.36 -0.27 0.00 0.00 0.00 0.00 55.69 55.69 1wge s MET 8 Cb -0.15 -3.81 0.03 0.00 0.00 0.00 0.00 34.83 30.90 1wge s MET 8 CO 0.05 -0.86 1.30 0.00 0.00 0.00 0.00 175.02 175.50 1wge s ALA 9 N 3.16 2.74 -0.31 3.03 0.00 -1.26 -4.96 121.76 124.15 1wge s ALA 9 Ca 0.32 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.99 1wge s ALA 9 Cb -0.13 -4.25 0.08 0.00 0.00 0.00 0.00 23.12 18.82 1wge s ALA 9 CO 0.17 -3.29 -0.01 0.54 0.00 0.00 0.00 175.76 173.17 1wge s VAL 10 N 5.82 2.27 0.25 0.00 0.11 -1.26 -5.11 120.40 122.49 1wge s VAL 10 Ca 0.36 -2.05 0.08 0.00 -2.93 0.00 0.00 61.98 57.44 1wge s VAL 10 Cb -0.08 -2.54 -0.04 0.00 -1.53 0.00 0.00 36.38 32.19 1wge s VAL 10 CO 0.16 -0.37 0.14 -0.36 -3.33 0.00 0.00 175.10 171.34 1wge s PHE 11 N 0.99 3.00 -0.09 1.54 0.40 -1.26 -4.68 117.98 117.88 1wge s PHE 11 Ca 0.03 -0.14 -0.13 0.00 -0.60 0.00 0.00 56.93 56.09 1wge s PHE 11 Cb -0.19 -1.34 -0.28 0.00 0.51 0.00 0.00 43.02 41.71 1wge s PHE 11 CO -0.07 0.55 0.57 1.25 0.70 0.00 0.00 175.22 178.22 1wge h HIS 12 N 1.61 0.56 -1.46 0.36 -0.00 -1.90 -3.50 115.15 110.82 1wge h HIS 12 Ca -0.47 -0.41 0.24 0.00 -0.00 0.00 0.00 60.37 59.73 1wge h HIS 12 Cb 1.24 -0.02 -0.20 0.00 -0.00 0.00 0.00 27.41 28.43 1wge h HIS 12 CO 0.59 1.64 0.81 -0.51 -0.00 0.00 0.00 177.93 180.46 1wge s ASP 13 N -7.14 -0.14 -0.52 3.26 1.01 -1.26 -5.10 116.67 106.78 1wge s ASP 13 Ca -0.19 0.02 -0.16 0.00 0.71 0.00 0.00 52.55 52.93 1wge s ASP 13 Cb 0.05 0.14 0.11 0.00 1.01 0.00 0.00 42.92 44.24 1wge s ASP 13 CO 0.80 -0.23 0.48 -1.61 0.21 0.00 0.00 175.17 174.83 1wge s GLU 14 N -2.24 2.99 -0.07 8.23 2.02 -1.26 -2.30 118.70 126.07 1wge s GLU 14 Ca 0.09 -1.58 -0.02 0.00 0.02 0.00 0.00 54.97 53.47 1wge s GLU 14 Cb -0.01 -4.25 -0.04 0.00 0.10 0.00 0.00 34.13 29.93 1wge s GLU 14 CO -0.05 -1.26 0.05 0.08 0.02 0.00 0.00 175.26 174.11 1wge s VAL 15 N 1.68 4.68 0.11 2.63 1.01 0.12 -4.86 120.40 125.75 1wge s VAL 15 Ca 0.04 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 1wge s VAL 15 Cb -0.28 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.00 1wge s VAL 15 CO 0.04 0.53 0.85 -1.61 0.00 0.00 0.00 175.10 174.92 1wge s GLU 16 N -1.16 4.61 0.56 2.72 2.02 -1.26 0.01 118.70 126.20 1wge s GLU 16 Ca 0.16 1.25 0.41 0.00 0.02 0.00 0.00 54.97 56.81 1wge s GLU 16 Cb -0.12 -3.34 1.55 0.00 0.10 0.00 0.00 34.13 32.32 1wge s GLU 16 CO 0.06 0.33 1.65 0.97 0.02 0.00 0.00 175.26 178.29 1wge h ILE 17 N 3.87 0.19 -1.01 -1.63 6.09 -1.54 0.36 117.51 123.84 1wge h ILE 17 Ca -0.44 0.00 0.23 0.00 -1.37 0.00 0.00 64.86 63.28 1wge h ILE 17 Cb 1.21 0.20 -0.11 0.00 0.47 0.00 0.00 36.82 38.59 1wge h ILE 17 CO 0.70 0.00 0.62 -0.33 -3.07 0.00 0.00 178.15 176.07 1wge h GLU 18 N 0.00 0.57 0.00 2.19 5.08 -1.91 0.44 114.58 120.94 1wge h GLU 18 Ca 0.69 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.87 1wge h GLU 18 Cb 2.91 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 32.02 1wge h GLU 18 CO -0.01 0.37 -0.69 -0.44 -1.00 0.00 0.00 179.01 177.24 1wge h ASP 19 N 0.58 0.00 -4.25 1.42 5.19 -0.66 -3.46 116.42 115.25 1wge h ASP 19 Ca 0.61 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 56.50 1wge h ASP 19 Cb 1.20 0.00 0.17 0.00 0.18 0.00 0.00 39.33 40.88 1wge h ASP 19 CO -0.40 0.69 0.30 -0.36 -3.12 0.00 0.00 179.24 176.35 1wge s PHE 20 N -3.20 1.96 -0.37 4.55 0.40 0.15 -4.94 117.98 116.53 1wge s PHE 20 Ca 0.01 1.68 -0.06 0.00 -0.60 0.00 0.00 56.93 57.96 1wge s PHE 20 Cb 0.11 -3.33 0.06 0.00 0.51 0.00 0.00 43.02 40.37 1wge s PHE 20 CO 0.77 -2.53 0.15 -0.65 0.70 0.00 0.00 175.22 173.66 1wge s GLN 21 N -4.44 2.49 0.10 0.44 -0.21 -0.24 -4.83 119.66 112.97 1wge s GLN 21 Ca 0.68 -1.38 -0.30 0.00 0.02 0.00 0.00 55.36 54.38 1wge s GLN 21 Cb -0.24 -3.54 -0.06 0.00 1.00 0.00 0.00 33.01 30.18 1wge s GLN 21 CO 0.53 -0.81 1.03 -0.47 -2.12 0.00 0.00 175.29 173.44 1wge s TYR 22 N 1.35 3.69 -0.33 0.91 5.04 -1.26 -1.59 117.35 125.15 1wge s TYR 22 Ca 0.01 1.67 0.03 0.00 -2.44 0.00 0.00 57.07 56.35 1wge s TYR 22 Cb -0.21 -3.16 0.10 0.00 0.35 0.00 0.00 41.96 39.03 1wge s TYR 22 CO 0.01 -0.20 0.04 0.34 -1.34 0.00 0.00 175.55 174.40 1wge s ASP 23 N 0.32 4.65 0.52 4.32 -1.08 -0.64 -4.97 116.67 119.79 1wge s ASP 23 Ca 0.50 -2.03 0.31 0.00 -0.52 0.00 0.00 52.55 50.81 1wge s ASP 23 Cb -0.25 -1.53 1.44 0.00 -1.46 0.00 0.00 42.92 41.12 1wge s ASP 23 CO 0.30 -0.37 1.85 1.05 0.52 0.00 0.00 175.17 178.52 1wge h GLU 24 N 7.68 0.07 -0.75 4.34 4.11 -1.95 0.57 114.58 128.65 1wge h GLU 24 Ca -0.06 -0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.49 1wge h GLU 24 Cb 1.02 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.12 1wge h GLU 24 CO 0.51 0.04 -0.33 -0.44 0.07 0.00 0.00 179.01 178.87 1wge h ASP 25 N 0.07 -1.17 0.00 3.06 5.19 -1.96 -2.87 116.42 118.75 1wge h ASP 25 Ca 0.49 0.25 -0.03 0.00 -0.62 0.00 0.00 57.03 57.13 1wge h ASP 25 Cb 1.84 0.62 -0.06 0.00 0.18 0.00 0.00 39.33 41.91 1wge h ASP 25 CO -0.05 -0.29 -0.39 -1.20 -3.12 0.00 0.00 179.24 174.19 1wge n SER 26 N -5.46 1.38 -4.14 6.45 7.64 -0.60 -5.01 113.62 113.88 1wge n SER 26 Ca 0.07 -2.79 -0.36 0.00 1.01 0.00 0.00 58.87 56.80 1wge n SER 26 Cb 0.38 -0.37 -0.04 0.00 -1.01 0.00 0.00 64.21 63.17 1wge n SER 26 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wge n GLU 27 N -0.70 -0.62 -4.28 1.43 1.02 0.19 -4.83 120.64 112.85 1wge n GLU 27 Ca 0.11 0.05 -0.17 0.00 -0.02 0.00 0.00 57.16 57.12 1wge n GLU 27 Cb 0.74 -2.80 -0.14 0.00 -0.02 0.00 0.00 31.44 29.22 1wge n GLU 27 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1wge s THR 28 N -3.99 0.61 0.55 2.62 2.01 -1.14 -1.79 115.64 114.51 1wge s THR 28 Ca 0.21 -0.38 -0.05 0.00 0.31 0.00 0.00 61.69 61.79 1wge s THR 28 Cb -0.12 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 71.87 1wge s THR 28 CO 0.92 0.14 0.85 -0.31 -0.69 0.00 0.00 174.62 175.52 1wge s TYR 29 N -0.25 3.29 0.04 4.92 1.51 -0.97 -1.62 117.35 124.27 1wge s TYR 29 Ca 0.02 0.59 -0.02 0.00 -1.01 0.00 0.00 57.07 56.66 1wge s TYR 29 Cb -0.03 -2.61 -0.03 0.00 -0.11 0.00 0.00 41.96 39.18 1wge s TYR 29 CO -0.00 -0.67 0.01 -0.06 -1.11 0.00 0.00 175.55 173.71 1wge s PHE 30 N -2.88 0.38 -0.21 2.71 0.08 -0.62 -3.09 117.98 114.34 1wge s PHE 30 Ca 0.52 -0.81 -0.24 0.00 0.12 0.00 0.00 56.93 56.52 1wge s PHE 30 Cb -0.10 -0.28 0.06 0.00 -0.57 0.00 0.00 43.02 42.13 1wge s PHE 30 CO 0.44 -0.34 0.65 -0.47 -0.10 0.00 0.00 175.22 175.40 1wge s TYR 31 N -3.11 -0.70 -0.21 0.36 5.04 -1.18 -1.08 117.35 116.47 1wge s TYR 31 Ca -0.01 1.63 -0.29 0.00 -2.44 0.00 0.00 57.07 55.97 1wge s TYR 31 Cb 0.02 0.27 -0.03 0.00 0.35 0.00 0.00 41.96 42.57 1wge s TYR 31 CO -0.07 -0.39 1.60 -1.25 -1.34 0.00 0.00 175.55 174.10 1wge s PRO 32 N 0.09 3.85 0.02 4.97 0.04 -1.26 0.72 135.00 143.42 1wge s PRO 32 Ca -0.02 1.70 -0.20 0.00 0.04 0.00 0.00 61.00 62.52 1wge s PRO 32 Cb -0.04 -4.02 -0.06 0.00 0.04 0.00 0.00 34.50 30.42 1wge s PRO 32 CO 0.02 -1.23 0.57 0.00 0.04 0.00 0.00 177.00 176.40 1wge n PRO 34 N 2.33 0.49 0.00 0.00 -0.04 -1.26 -2.59 135.00 133.93 1wge n PRO 34 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1wge n PRO 34 Cb 0.51 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 1wge n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wge n GLY 36 N 3.40 -1.33 3.76 0.00 0.00 -1.07 -5.07 105.19 104.88 1wge n GLY 36 Ca 0.00 0.47 -0.37 0.00 0.00 0.00 0.00 46.02 46.12 1wge n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wge s ASP 37 N -2.59 5.51 -0.07 1.61 1.11 -1.26 -4.54 116.67 116.44 1wge s ASP 37 Ca 0.00 2.51 -0.22 0.00 0.18 0.00 0.00 52.55 55.02 1wge s ASP 37 Cb 0.00 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1wge s ASP 37 CO 0.00 -1.39 0.66 0.20 1.18 0.00 0.00 175.17 175.82 1wge s ASN 38 N -1.27 6.94 1.04 0.27 0.01 -1.26 -3.38 114.94 117.29 1wge s ASN 38 Ca 0.71 1.13 -0.20 0.00 -0.71 0.00 0.00 52.86 53.79 1wge s ASN 38 Cb -0.34 -2.39 -0.02 0.00 0.41 0.00 0.00 41.25 38.91 1wge s ASN 38 CO 0.39 -0.08 -0.43 0.49 -1.51 0.00 0.00 177.10 175.96 1wge n PHE 39 N 3.69 -1.89 -3.65 2.20 3.72 0.22 -4.65 117.46 117.11 1wge n PHE 39 Ca -0.03 0.27 -0.05 0.00 -0.05 0.00 0.00 57.45 57.60 1wge n PHE 39 Cb 0.51 -1.54 -0.06 0.00 -0.94 0.00 0.00 39.48 37.45 1wge n PHE 39 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wge s ALA 40 N -2.17 -1.91 -0.11 4.37 0.00 -1.16 -3.13 121.76 117.65 1wge s ALA 40 Ca 0.49 2.35 -0.03 0.00 0.00 0.00 0.00 51.96 54.77 1wge s ALA 40 Cb -0.08 -1.55 0.05 0.00 0.00 0.00 0.00 23.12 21.54 1wge s ALA 40 CO 0.69 -0.60 0.13 -1.50 0.00 0.00 0.00 175.76 174.47 1wge s ILE 41 N 2.14 -0.19 0.29 0.00 2.07 -1.18 -3.76 121.20 120.57 1wge s ILE 41 Ca -0.08 0.19 -0.30 0.00 -1.41 0.00 0.00 60.65 59.05 1wge s ILE 41 Cb -0.08 -0.37 -0.11 0.00 0.13 0.00 0.00 42.46 42.02 1wge s ILE 41 CO -0.19 0.01 1.61 0.42 -1.91 0.00 0.00 174.94 174.87 1wge s THR 42 N 2.23 2.05 0.30 4.00 -4.23 -1.26 -2.30 115.64 116.44 1wge s THR 42 Ca 0.04 0.05 0.05 0.00 -1.18 0.00 0.00 61.69 60.65 1wge s THR 42 Cb -0.13 -3.03 0.29 0.00 1.34 0.00 0.00 72.50 70.97 1wge s THR 42 CO -0.07 0.01 1.75 0.50 -0.54 0.00 0.00 174.62 176.27 1wge h LYS 43 N 5.00 0.60 -0.92 3.99 3.11 -1.67 0.11 116.57 126.79 1wge h LYS 43 Ca -0.47 -0.04 0.12 0.00 -2.81 0.00 0.00 60.65 57.45 1wge h LYS 43 Cb 1.22 -0.14 -0.08 0.00 -1.00 0.00 0.00 32.23 32.23 1wge h LYS 43 CO 0.81 0.40 0.55 1.49 -2.81 0.00 0.00 179.45 179.88 1wge h GLU 44 N 0.62 0.84 -0.19 1.90 4.81 -1.90 -1.77 114.58 118.89 1wge h GLU 44 Ca 0.57 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1wge h GLU 44 Cb 0.98 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1wge h GLU 44 CO -0.43 0.55 0.11 -0.44 -0.73 0.00 0.00 179.01 178.07 1wge h ASP 45 N 0.86 0.23 -0.14 1.04 3.32 -1.13 -2.71 116.42 117.88 1wge h ASP 45 Ca 0.46 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.50 1wge h ASP 45 Cb 0.48 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 1wge h ASP 45 CO -0.28 0.22 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.15 1wge h LEU 46 N 0.22 -0.77 -2.00 1.55 3.38 -1.14 0.44 115.31 116.99 1wge h LEU 46 Ca 0.07 0.12 0.18 0.00 0.09 0.00 0.00 57.88 58.34 1wge h LEU 46 Cb 0.04 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1wge h LEU 46 CO -0.01 -0.29 0.45 -0.33 0.09 0.00 0.00 178.44 178.35 1wge h GLU 47 N -0.31 0.00 0.00 1.13 5.08 -1.32 0.64 114.58 119.80 1wge h GLU 47 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1wge h GLU 47 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1wge h GLU 47 CO -0.32 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.78 1wge n ASN 48 N -4.31 0.00 -1.28 1.42 3.02 0.12 -4.76 115.26 109.47 1wge n ASN 48 Ca 0.12 -1.72 -0.08 0.00 -0.03 0.00 0.00 54.58 52.87 1wge n ASN 48 Cb 0.70 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.89 1wge n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wge n GLY 49 N 0.50 0.34 0.06 7.41 0.00 0.22 -4.98 105.19 108.75 1wge n GLY 49 Ca 0.04 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.55 1wge n GLY 49 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wge h GLU 50 N -0.60 0.00 -6.60 1.61 4.39 -1.41 -3.48 114.58 108.48 1wge h GLU 50 Ca -0.18 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.99 1wge h GLU 50 Cb 1.12 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.62 1wge h GLU 50 CO 0.19 0.30 -0.82 -0.40 -1.16 0.00 0.00 179.01 177.12 1wge n ASP 51 N -4.67 -3.53 -3.73 1.42 5.75 -1.26 -4.94 116.55 105.59 1wge n ASP 51 Ca -0.07 -0.95 -0.19 0.00 -0.01 0.00 0.00 54.79 53.57 1wge n ASP 51 Cb 0.23 -3.10 -0.17 0.00 -1.03 0.00 0.00 41.12 37.05 1wge n ASP 51 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1wge s VAL 52 N -3.34 0.03 -0.25 2.12 1.01 -1.26 -2.50 120.40 116.22 1wge s VAL 52 Ca 0.67 0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.87 1wge s VAL 52 Cb -0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1wge s VAL 52 CO 0.90 0.17 0.05 0.00 0.00 0.00 0.00 175.10 176.22 1wge s ALA 53 N 1.76 3.08 -0.08 5.51 0.00 -1.16 -4.81 121.76 126.06 1wge s ALA 53 Ca 0.00 -1.18 -0.09 0.00 0.00 0.00 0.00 51.96 50.70 1wge s ALA 53 Cb -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1wge s ALA 53 CO -0.03 -0.53 0.21 0.99 0.00 0.00 0.00 175.76 176.40 1wge s THR 54 N 1.57 5.38 -0.15 0.00 2.01 -1.24 -3.37 115.64 119.84 1wge s THR 54 Ca 0.06 0.33 -0.12 0.00 0.31 0.00 0.00 61.69 62.27 1wge s THR 54 Cb -0.15 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 1wge s THR 54 CO 0.02 0.57 0.24 0.00 -0.69 0.00 0.00 174.62 174.76 1wge n PRO 56 N 3.24 0.49 0.01 0.00 -0.04 -1.26 -0.30 135.00 137.13 1wge n PRO 56 Ca -0.14 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1wge n PRO 56 Cb 0.52 -1.16 -0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1wge n PRO 56 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wge n SER 57 N -0.66 0.17 0.06 3.54 2.88 -1.26 -4.87 113.62 113.47 1wge n SER 57 Ca 0.04 0.02 0.10 0.00 -1.33 0.00 0.00 58.87 57.70 1wge n SER 57 Cb 0.02 -0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 63.32 1wge n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wge n SER 59 N -2.54 -2.55 -4.74 0.00 2.88 0.59 -4.91 113.62 102.35 1wge n SER 59 Ca -0.03 0.03 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 1wge n SER 59 Cb 0.58 -1.61 0.06 0.00 -0.75 0.00 0.00 64.21 62.50 1wge n SER 59 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wge s LEU 60 N -1.44 3.56 -0.12 2.46 1.43 -1.26 -4.32 118.68 118.98 1wge s LEU 60 Ca 0.00 2.52 0.01 0.00 -1.03 0.00 0.00 54.13 55.63 1wge s LEU 60 Cb 0.00 -4.61 0.02 0.00 0.03 0.00 0.00 46.19 41.63 1wge s LEU 60 CO 0.00 -1.94 -0.13 0.27 0.23 0.00 0.00 176.35 174.79 1wge s ILE 61 N -1.54 1.38 0.14 -0.59 -4.36 -1.24 -2.67 121.20 112.32 1wge s ILE 61 Ca 0.80 -0.54 0.10 0.00 -0.26 0.00 0.00 60.65 60.76 1wge s ILE 61 Cb -0.34 -1.31 -0.04 0.00 1.25 0.00 0.00 42.46 42.02 1wge s ILE 61 CO 0.39 0.42 -0.25 0.27 0.24 0.00 0.00 174.94 176.01 1wge s ILE 62 N 1.35 2.17 -0.32 8.37 -4.36 -1.22 -2.59 121.20 124.60 1wge s ILE 62 Ca 0.00 -1.79 -0.28 0.00 -0.26 0.00 0.00 60.65 58.32 1wge s ILE 62 Cb -0.14 -1.95 0.01 0.00 1.25 0.00 0.00 42.46 41.64 1wge s ILE 62 CO -0.07 -0.00 1.01 -0.75 0.24 0.00 0.00 174.94 175.37 1wge s LYS 63 N -2.21 4.03 -0.63 0.37 2.36 -0.97 -3.01 119.74 119.67 1wge s LYS 63 Ca 0.14 0.94 -0.23 0.00 -2.55 0.00 0.00 55.97 54.27 1wge s LYS 63 Cb -0.09 -3.74 0.06 0.00 -1.05 0.00 0.00 37.83 33.01 1wge s LYS 63 CO 0.07 -0.87 0.97 0.08 1.55 0.00 0.00 175.35 177.14 1wge s VAL 64 N 3.51 4.32 -0.66 4.02 1.01 -1.04 -0.70 120.40 130.86 1wge s VAL 64 Ca 0.42 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.98 1wge s VAL 64 Cb -0.12 -4.65 0.02 0.00 0.00 0.00 0.00 36.38 31.62 1wge s VAL 64 CO 0.15 -1.37 1.41 -0.63 0.00 0.00 0.00 175.10 174.67 1wge s ILE 65 N 4.09 3.69 0.20 2.22 -1.09 0.10 -4.74 121.20 125.67 1wge s ILE 65 Ca 0.25 0.48 0.02 0.00 -2.23 0.00 0.00 60.65 59.17 1wge s ILE 65 Cb -0.15 -4.60 -0.05 0.00 -1.58 0.00 0.00 42.46 36.08 1wge s ILE 65 CO 0.13 -1.47 0.02 -0.72 -1.23 0.00 0.00 174.94 171.67 1wge s TYR 66 N 6.37 1.32 -0.77 3.97 -0.85 -1.26 -1.44 117.35 124.70 1wge s TYR 66 Ca 0.46 -1.03 -0.26 0.00 -0.52 0.00 0.00 57.07 55.72 1wge s TYR 66 Cb -0.10 -0.76 0.02 0.00 0.38 0.00 0.00 41.96 41.51 1wge s TYR 66 CO 0.19 -0.20 1.46 -0.51 -1.52 0.00 0.00 175.55 174.97 1wge s ASP 67 N -3.22 5.98 0.12 -0.18 1.01 -1.26 -4.82 116.67 114.29 1wge s ASP 67 Ca 0.27 -0.46 0.07 0.00 0.71 0.00 0.00 52.55 53.14 1wge s ASP 67 Cb 0.06 -2.56 0.38 0.00 1.01 0.00 0.00 42.92 41.82 1wge s ASP 67 CO 0.06 -1.95 1.17 0.29 0.21 0.00 0.00 175.17 174.95 1wge n LYS 68 N 9.24 0.05 0.01 8.23 5.02 -1.26 -1.03 118.16 138.42 1wge n LYS 68 Ca 0.13 0.51 -0.16 0.00 -2.02 0.00 0.00 58.31 56.77 1wge n LYS 68 Cb 0.50 -1.72 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 1wge n LYS 68 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1wge h ASP 69 N 0.00 0.83 0.72 4.39 5.19 -1.99 0.37 116.42 125.92 1wge h ASP 69 Ca 0.00 -0.57 -0.26 0.00 -0.62 0.00 0.00 57.03 55.58 1wge h ASP 69 Cb 0.13 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 1wge h ASP 69 CO 0.00 1.36 -1.22 0.06 -3.12 0.00 0.00 179.24 176.32 1wge h GLN 70 N 0.45 0.18 0.05 3.56 3.07 -1.44 -3.11 115.11 117.88 1wge h GLN 70 Ca -0.06 -0.31 -0.25 0.00 0.09 0.00 0.00 58.65 58.12 1wge h GLN 70 Cb 1.45 0.11 0.01 0.00 0.08 0.00 0.00 27.48 29.13 1wge h GLN 70 CO 0.16 1.12 -1.06 0.74 0.09 0.00 0.00 178.83 179.88 1wge h PHE 71 N 0.05 0.61 0.60 0.06 -1.00 -1.55 -3.35 116.94 112.36 1wge h PHE 71 Ca -0.11 -0.37 -0.03 0.00 2.81 0.00 0.00 57.97 60.27 1wge h PHE 71 Cb 1.92 -0.05 0.01 0.00 3.61 0.00 0.00 35.95 41.43 1wge h PHE 71 CO 0.04 1.22 -0.29 0.52 -1.61 0.00 0.00 178.31 178.19 1wge h MET 72 N 0.19 -0.78 -6.47 1.51 2.86 -1.01 -3.44 114.93 107.78 1wge h MET 72 Ca -0.11 0.05 -0.61 0.00 -2.06 0.00 0.00 59.70 56.98 1wge h MET 72 Cb 1.72 0.18 0.07 0.00 0.06 0.00 0.00 31.60 33.63 1wge h MET 72 CO 0.18 -0.52 0.61 0.00 1.06 0.00 0.00 176.91 178.24 1wge n GLY 74 N 2.66 3.87 0.00 0.00 0.00 0.10 -4.90 105.19 106.93 1wge n GLY 74 Ca 0.15 -2.05 0.01 0.00 0.00 0.00 0.00 46.02 44.14 1wge n GLY 74 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wge n GLU 75 N -0.05 0.09 -3.66 1.61 4.71 -1.26 -4.76 120.64 117.32 1wge n GLU 75 Ca 0.00 -0.02 -0.36 0.00 -0.01 0.00 0.00 57.16 56.77 1wge n GLU 75 Cb 0.00 -1.06 -0.07 0.00 -1.01 0.00 0.00 31.44 29.30 1wge n GLU 75 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1wge s THR 76 N -2.17 4.18 -1.13 2.62 -4.23 -1.26 -4.83 115.64 108.83 1wge s THR 76 Ca -0.01 -3.69 -0.02 0.00 -1.18 0.00 0.00 61.69 56.78 1wge s THR 76 Cb 0.02 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1wge s THR 76 CO 0.10 -1.04 0.04 0.52 -0.54 0.00 0.00 174.62 173.71 1wge n VAL 77 N 2.56 -0.85 -3.99 2.29 0.31 -1.26 -4.90 118.33 112.49 1wge n VAL 77 Ca 0.19 -0.38 -0.09 0.00 -0.01 0.00 0.00 64.34 64.05 1wge n VAL 77 Cb 0.37 -0.82 -0.10 0.00 -0.91 0.00 0.00 33.84 32.37 1wge n VAL 77 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1wge s SER 78 N -4.02 0.27 0.00 4.52 0.15 -1.26 -5.06 113.70 108.29 1wge s SER 78 Ca 0.03 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1wge s SER 78 Cb -0.02 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1wge s SER 78 CO 0.74 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.38 1wge n GLY 79 N 1.11 -0.19 3.56 9.45 0.00 -1.26 0.02 105.19 117.89 1wge n GLY 79 Ca -0.21 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 1wge n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wge s PRO 80 N -2.00 2.59 0.00 1.61 0.04 -1.26 -4.85 135.00 131.13 1wge s PRO 80 Ca 0.00 0.14 -0.04 0.00 0.04 0.00 0.00 61.00 61.14 1wge s PRO 80 Cb 0.00 -4.74 -0.18 0.00 0.04 0.00 0.00 34.50 29.62 1wge s PRO 80 CO 0.00 -3.07 3.10 -1.13 0.04 0.00 0.00 177.00 175.94 1wge n SER 81 N 13.38 5.24 -0.29 6.66 3.41 -1.26 -4.47 113.62 136.28 1wge n SER 81 Ca 0.31 -2.45 -0.04 0.00 -0.26 0.00 0.00 58.87 56.42 1wge n SER 81 Cb 0.49 -1.32 0.07 0.00 -0.26 0.00 0.00 64.21 63.19 1wge n SER 81 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1wge h SER 82 N 2.39 0.95 0.00 4.04 4.64 -2.06 -3.57 113.55 119.94 1wge h SER 82 Ca 0.13 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1wge h SER 82 Cb 1.35 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1wge h SER 82 CO 0.16 0.73 0.00 0.61 -0.87 0.00 0.00 176.83 177.46